4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide

C13H8ClF3N2O — CID 63187581

IUPAC4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide
SMILESNc1c(F)cc(C(=O)Nc2ccc(F)c(Cl)c2)cc1F
InChIInChI=1S/C13H8ClF3N2O/c14-8-5-7(1-2-9(8)15)19-13(20)6-3-10(16)12(18)11(17)4-6/h1-5H,18H2,(H,19,20)
InChIKeyBAFPCOVWINYEJL-UHFFFAOYSA-N
MW300.67 g/mol
LogP3.59
Rot. Bonds2

About 4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide

4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide (PubChem CID 63187581) has the molecular formula C13H8ClF3N2O and a molecular weight of 300.67 g/mol. Its IUPAC name is 4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide
PubChem CID63187581
Molecular FormulaC13H8ClF3N2O
Molecular Weight300.67 g/mol
Exact Mass300.03
IUPAC Name4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide
SMILESNc1c(F)cc(C(=O)Nc2ccc(F)c(Cl)c2)cc1F
InChIInChI=1S/C13H8ClF3N2O/c14-8-5-7(1-2-9(8)15)19-13(20)6-3-10(16)12(18)11(17)4-6/h1-5H,18H2,(H,19,20)
InChIKeyBAFPCOVWINYEJL-UHFFFAOYSA-N
XLogP3.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.67
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide
CID 918547
4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 43386528
N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide
CID 82875366
N-(3-chloro-4-fluorophenyl)-1H-pyrrole-3-carboxamide
CID 110691150
N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide
CID 2083480
2-chloro-N-(3-chloro-4-fluorophenyl)-6-hydrazinylpyridine-4-carboxamide
CID 62242916
4-chloro-N-(3-chloro-4-fluorophenyl)-3-sulfanylbenzamide
CID 167246589
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
N-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 7668668
4-amino-3,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide
CID 63185686
N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532923
3-bromo-N-(3-chloro-4-fluorophenyl)benzamide
CID 789113

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide?
The IUPAC name of 4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide (CID 63187581) is 4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide.
What is the SMILES notation for 4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide?
The canonical SMILES for 4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide is Nc1c(F)cc(C(=O)Nc2ccc(F)c(Cl)c2)cc1F.
What is the InChIKey of 4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide?
The InChIKey is BAFPCOVWINYEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N2O/c14-8-5-7(1-2-9(8)15)19-13(20)6-3-10(16)12(18)11(17)4-6/h1-5H,18H2,(H,19,20).
What are the key properties of 4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide?
4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide has a molecular weight of 300.67 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide is sourced from PubChem (CID 63187581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).